data_15867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of 9.7 M urea-denatured GED of dynamin ; _BMRB_accession_number 15867 _BMRB_flat_file_name bmr15867.str _Entry_type original _Submission_date 2008-07-08 _Accession_date 2008-07-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharma Shilpy . . 2 Chugh Jeetender . . 3 Kumar Dinesh . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 438 "13C chemical shifts" 384 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-20 update BMRB 'added new entry citation' 2009-05-05 update BMRB 'complete entry citation' 2009-02-11 update BMRB 'correct residue numbers in data table' 2008-11-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, 13C resonance assignment of 9.7 M urea-denatured state of the GTPase effector domain (GED) of dynamin' _Citation_status publshed _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636936 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chugh Jeetender . . 2 Sharma Shilpy . . 3 Kumar Dinesh . . 4 Hosur Ramakrishna V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13 _Page_last 16 _Year 2009 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_GED97UREA _Saveframe_category citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignment of urea-denatured GED of dynamin' _Citation_status publshed _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19026983 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chugh Jeetender . . 2 Sharma Shilpy . . 3 Hosur Ramakrishna V. . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_name_full 'Archives of Biochemistry and Biophysics' _Journal_volume 481 _Journal_issue 2 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 169 _Page_last 176 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GED monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GED $GED stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GED _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GED _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GSASFLRAGVYPERVGDKEK ASETEENGSDSFMHSMDPQL ERQVETIRNLVDSYMAIVNK TVRDLMPKTIMHLMINNTKE FIFSELLANLYSCGDQNTLM EESAEQAQRRDEMLRMYHAL KEALSIIGNINTTTVSTP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 SER 5 PHE 6 LEU 7 ARG 8 ALA 9 GLY 10 VAL 11 TYR 12 PRO 13 GLU 14 ARG 15 VAL 16 GLY 17 ASP 18 LYS 19 GLU 20 LYS 21 ALA 22 SER 23 GLU 24 THR 25 GLU 26 GLU 27 ASN 28 GLY 29 SER 30 ASP 31 SER 32 PHE 33 MET 34 HIS 35 SER 36 MET 37 ASP 38 PRO 39 GLN 40 LEU 41 GLU 42 ARG 43 GLN 44 VAL 45 GLU 46 THR 47 ILE 48 ARG 49 ASN 50 LEU 51 VAL 52 ASP 53 SER 54 TYR 55 MET 56 ALA 57 ILE 58 VAL 59 ASN 60 LYS 61 THR 62 VAL 63 ARG 64 ASP 65 LEU 66 MET 67 PRO 68 LYS 69 THR 70 ILE 71 MET 72 HIS 73 LEU 74 MET 75 ILE 76 ASN 77 ASN 78 THR 79 LYS 80 GLU 81 PHE 82 ILE 83 PHE 84 SER 85 GLU 86 LEU 87 LEU 88 ALA 89 ASN 90 LEU 91 TYR 92 SER 93 CYS 94 GLY 95 ASP 96 GLN 97 ASN 98 THR 99 LEU 100 MET 101 GLU 102 GLU 103 SER 104 ALA 105 GLU 106 GLN 107 ALA 108 GLN 109 ARG 110 ARG 111 ASP 112 GLU 113 MET 114 LEU 115 ARG 116 MET 117 TYR 118 HIS 119 ALA 120 LEU 121 LYS 122 GLU 123 ALA 124 LEU 125 SER 126 ILE 127 ILE 128 GLY 129 ASN 130 ILE 131 ASN 132 THR 133 THR 134 THR 135 VAL 136 SER 137 THR 138 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15868 GED 100.00 138 100.00 100.00 5.62e-97 BMRB 16948 GTPase_Effector_Domain_(GED) 100.00 138 100.00 100.00 5.62e-97 PDB 3SNH "Crystal Structure Of Nucleotide-free Human Dynamin1" 93.48 743 99.22 100.00 6.68e-82 PDB 3ZVR "Crystal Structure Of Dynamin" 97.83 772 99.26 100.00 1.21e-85 PDB 4UUD "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp" 98.55 864 99.26 100.00 2.13e-86 PDB 4UUK "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp Strand 2" 98.55 864 99.26 100.00 2.13e-86 DBJ BAD90284 "mKIAA4093 protein [Mus musculus]" 98.55 871 99.26 100.00 1.60e-86 DBJ BAE25726 "unnamed protein product [Mus musculus]" 98.55 864 99.26 100.00 2.22e-86 DBJ BAG53342 "unnamed protein product [Homo sapiens]" 98.55 396 98.53 99.26 1.92e-90 DBJ BAG58137 "unnamed protein product [Homo sapiens]" 98.55 790 99.26 100.00 7.97e-87 DBJ BAG59018 "unnamed protein product [Homo sapiens]" 98.55 851 99.26 100.00 1.72e-86 EMBL CAA38397 "D100 [Rattus norvegicus]" 98.55 851 99.26 100.00 1.86e-86 GB AAA02803 "dynamin [Homo sapiens]" 98.55 864 100.00 100.00 3.79e-87 GB AAA37318 "dynamin, partial [Mus musculus domesticus]" 91.30 743 100.00 100.00 3.03e-80 GB AAA37319 "dynamin, partial [Mus musculus domesticus]" 95.65 243 98.48 99.24 6.64e-92 GB AAA37323 "dynamin, partial [Mus musculus]" 98.55 612 98.53 99.26 1.31e-87 GB AAA37324 "dynamin [Mus musculus]" 98.55 861 98.53 99.26 1.59e-85 PIR B40671 "dynamin, internal form 2, short C-terminal form - human" 98.55 851 100.00 100.00 4.82e-87 PRF 1614348A "dynamin 1 D100 protein" 98.55 851 99.26 100.00 1.86e-86 REF NP_001005336 "dynamin-1 isoform 2 [Homo sapiens]" 98.55 851 99.26 100.00 2.30e-86 REF NP_001070288 "dynamin-1 [Bos taurus]" 98.55 856 99.26 100.00 1.40e-86 REF NP_001124521 "dynamin-1 [Canis lupus familiaris]" 98.55 864 99.26 100.00 1.86e-86 REF NP_001275666 "dynamin-1 isoform 3 [Homo sapiens]" 98.55 851 99.26 100.00 1.48e-86 REF NP_001275667 "dynamin-1 isoform 3 [Homo sapiens]" 98.55 851 99.26 100.00 1.48e-86 SP P21575 "RecName: Full=Dynamin-1; AltName: Full=B-dynamin; AltName: Full=D100; AltName: Full=Dynamin, brain" 98.55 864 99.26 100.00 1.76e-86 SP P39053 "RecName: Full=Dynamin-1" 98.55 867 99.26 100.00 2.46e-86 SP Q05193 "RecName: Full=Dynamin-1" 98.55 864 99.26 100.00 2.13e-86 SP Q08DF4 "RecName: Full=Dynamin-1" 98.55 856 99.26 100.00 1.40e-86 TPG DAA24145 "TPA: dynamin-1 [Bos taurus]" 98.55 856 99.26 100.00 1.40e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GED Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GED 'recombinant technology' . Escherichia coli . pGEX4T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C_GED _Saveframe_category sample _Sample_type solution _Details 'GED is denatured using 9.7 M urea and is maintained at a temperature of 15 degree celcius' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GED 1 mM '[U-100% 13C; U-100% 15N]' DTT 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' urea 9.7 M 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_15N_GED _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GED 1 mM '[U-100% 15N]' DTT 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' urea 9.7 M 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_GED save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C_GED save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N_13C_GED save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N_13C_GED save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N_GED save_ save_3D_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $15N_13C_GED save_ save_3D_HNN_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $15N_13C_GED save_ save_3D_HN(C)N_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(C)N' _Sample_label $15N_13C_GED save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $15N_13C_GED save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 5.7 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D 1H-15N TOCSY' '3D CBCANH' '3D HNN' '3D HN(C)N' '3D HN(CA)CO' stop_ loop_ _Sample_label $15N_GED $15N_13C_GED stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GED _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER H H 8.78 0.02 1 2 2 2 SER HA H 4.72 0.02 1 3 2 2 SER HB2 H 3.89 0.02 1 4 2 2 SER C C 174.3 0.3 1 5 2 2 SER CA C 59.3 0.3 1 6 2 2 SER CB C 65.2 0.3 1 7 2 2 SER N N 116.3 0.3 1 8 3 3 ALA H H 8.57 0.02 1 9 3 3 ALA HA H 4.35 0.02 1 10 3 3 ALA HB H 1.36 0.02 1 11 3 3 ALA C C 177.7 0.3 1 12 3 3 ALA CA C 53.6 0.3 1 13 3 3 ALA CB C 20.3 0.3 1 14 3 3 ALA N N 126.2 0.3 1 15 4 4 SER H H 8.30 0.02 1 16 4 4 SER HA H 4.41 0.02 1 17 4 4 SER HB2 H 3.80 0.02 1 18 4 4 SER C C 174.3 0.3 1 19 4 4 SER CA C 59.6 0.3 1 20 4 4 SER CB C 64.6 0.3 1 21 4 4 SER N N 115.2 0.3 1 22 5 5 PHE H H 8.22 0.02 1 23 5 5 PHE HA H 4.62 0.02 1 24 5 5 PHE HB3 H 3.08 0.02 1 25 5 5 PHE C C 175.4 0.3 1 26 5 5 PHE CA C 58.6 0.3 1 27 5 5 PHE CB C 40.6 0.3 1 28 5 5 PHE N N 122.1 0.3 1 29 6 6 LEU H H 8.23 0.02 1 30 6 6 LEU HA H 4.33 0.02 1 31 6 6 LEU HB2 H 1.53 0.02 1 32 6 6 LEU C C 176.9 0.3 1 33 6 6 LEU CA C 56.1 0.3 1 34 6 6 LEU CB C 43.7 0.3 1 35 6 6 LEU N N 124.0 0.3 1 36 7 7 ARG H H 8.46 0.02 1 37 7 7 ARG HA H 4.31 0.02 1 38 7 7 ARG HB2 H 1.74 0.02 2 39 7 7 ARG HB3 H 1.69 0.02 2 40 7 7 ARG C C 174.7 0.3 1 41 7 7 ARG CA C 57.2 0.3 1 42 7 7 ARG CB C 31.8 0.3 1 43 7 7 ARG N N 123.0 0.3 1 44 8 8 ALA H H 8.47 0.02 1 45 8 8 ALA HA H 4.33 0.02 1 46 8 8 ALA HB H 1.41 0.02 1 47 8 8 ALA C C 178.0 0.3 1 48 8 8 ALA CA C 53.4 0.3 1 49 8 8 ALA CB C 20.4 0.3 1 50 8 8 ALA N N 125.7 0.3 1 51 9 9 GLY H H 8.40 0.02 1 52 9 9 GLY HA2 H 3.91 0.02 1 53 9 9 GLY C C 173.5 0.3 1 54 9 9 GLY CA C 46.2 0.3 1 55 9 9 GLY N N 108.4 0.3 1 56 10 10 VAL H H 7.88 0.02 1 57 10 10 VAL HA H 4.06 0.02 1 58 10 10 VAL HB H 1.87 0.02 1 59 10 10 VAL HG2 H 0.81 0.02 1 60 10 10 VAL C C 175.5 0.3 1 61 10 10 VAL CA C 63.2 0.3 1 62 10 10 VAL CB C 33.9 0.3 1 63 10 10 VAL N N 119.1 0.3 1 64 11 11 TYR H H 8.43 0.02 1 65 11 11 TYR HA H 4.85 0.02 1 66 11 11 TYR HB2 H 3.07 0.02 2 67 11 11 TYR HB3 H 2.81 0.02 2 68 11 11 TYR C C 173.9 0.3 1 69 11 11 TYR CA C 56.7 0.3 1 70 11 11 TYR CB C 39.5 0.3 1 71 11 11 TYR N N 124.6 0.3 1 72 13 13 GLU H H 8.59 0.02 1 73 13 13 GLU HA H 4.26 0.02 1 74 13 13 GLU HB3 H 1.98 0.02 1 75 13 13 GLU HG2 H 2.31 0.02 1 76 13 13 GLU C C 176.5 0.3 1 77 13 13 GLU CA C 57.5 0.3 1 78 13 13 GLU CB C 31.5 0.3 1 79 13 13 GLU N N 121.7 0.3 1 80 14 14 ARG H H 8.55 0.02 1 81 14 14 ARG HA H 4.42 0.02 1 82 14 14 ARG HB2 H 1.79 0.02 2 83 14 14 ARG HB3 H 1.60 0.02 2 84 14 14 ARG C C 176.3 0.3 1 85 14 14 ARG CA C 57.2 0.3 1 86 14 14 ARG CB C 31.9 0.3 1 87 14 14 ARG N N 123.0 0.3 1 88 15 15 VAL H H 8.40 0.02 1 89 15 15 VAL HA H 4.13 0.02 1 90 15 15 VAL HB H 2.04 0.02 1 91 15 15 VAL HG2 H 0.93 0.02 1 92 15 15 VAL C C 176.6 0.3 1 93 15 15 VAL CA C 63.4 0.3 1 94 15 15 VAL CB C 34.0 0.3 1 95 15 15 VAL N N 122.4 0.3 1 96 16 16 GLY H H 8.55 0.02 1 97 16 16 GLY HA2 H 3.98 0.02 1 98 16 16 GLY C C 173.8 0.3 1 99 16 16 GLY CA C 46.2 0.3 1 100 16 16 GLY N N 112.6 0.3 1 101 17 17 ASP H H 8.31 0.02 1 102 17 17 ASP HA H 4.62 0.02 1 103 17 17 ASP HB2 H 2.68 0.02 1 104 17 17 ASP C C 176.5 0.3 1 105 17 17 ASP CA C 55.9 0.3 1 106 17 17 ASP CB C 42.5 0.3 1 107 17 17 ASP N N 120.7 0.3 1 108 18 18 LYS H H 8.42 0.02 1 109 18 18 LYS HA H 4.26 0.02 1 110 18 18 LYS HB3 H 1.74 0.02 1 111 18 18 LYS C C 176.7 0.3 1 112 18 18 LYS CA C 57.5 0.3 1 113 18 18 LYS CB C 31.3 0.3 1 114 18 18 LYS N N 121.3 0.3 1 115 19 19 GLU H H 8.50 0.02 1 116 19 19 GLU HA H 4.26 0.02 1 117 19 19 GLU HB3 H 2.00 0.02 1 118 19 19 GLU HG2 H 2.31 0.02 1 119 19 19 GLU C C 176.4 0.3 1 120 19 19 GLU CA C 57.2 0.3 1 121 19 19 GLU CB C 31.3 0.3 1 122 19 19 GLU N N 121.9 0.3 1 123 20 20 LYS H H 8.38 0.02 1 124 20 20 LYS HA H 4.31 0.02 1 125 20 20 LYS HB3 H 1.78 0.02 1 126 20 20 LYS C C 176.4 0.3 1 127 20 20 LYS CA C 57.2 0.3 1 128 20 20 LYS CB C 34.3 0.3 1 129 20 20 LYS N N 122.7 0.3 1 130 21 21 ALA H H 8.48 0.02 1 131 21 21 ALA HA H 4.34 0.02 1 132 21 21 ALA HB H 1.41 0.02 1 133 21 21 ALA C C 177.9 0.3 1 134 21 21 ALA CA C 53.6 0.3 1 135 21 21 ALA CB C 20.4 0.3 1 136 21 21 ALA N N 126.0 0.3 1 137 22 22 SER H H 8.42 0.02 1 138 22 22 SER HA H 4.43 0.02 1 139 22 22 SER HB2 H 3.88 0.02 1 140 22 22 SER C C 174.8 0.3 1 141 22 22 SER CA C 59.6 0.3 1 142 22 22 SER CB C 64.9 0.3 1 143 22 22 SER N N 115.5 0.3 1 144 23 23 GLU H H 8.61 0.02 1 145 23 23 GLU HA H 4.39 0.02 1 146 23 23 GLU HB2 H 1.98 0.02 2 147 23 23 GLU HB3 H 2.12 0.02 2 148 23 23 GLU HG2 H 2.33 0.02 1 149 23 23 GLU C C 176.7 0.3 1 150 23 23 GLU CA C 57.8 0.3 1 151 23 23 GLU CB C 31.3 0.3 1 152 23 23 GLU N N 122.9 0.3 1 153 24 24 THR H H 8.20 0.02 1 154 24 24 THR HA H 4.35 0.02 1 155 24 24 THR HB H 4.20 0.02 1 156 24 24 THR HG2 H 1.20 0.02 1 157 24 24 THR C C 174.6 0.3 1 158 24 24 THR CA C 62.8 0.3 1 159 24 24 THR CB C 71.0 0.3 1 160 24 24 THR N N 114.1 0.3 1 161 25 25 GLU H H 8.43 0.02 1 162 25 25 GLU HA H 4.33 0.02 1 163 25 25 GLU HB2 H 1.97 0.02 2 164 25 25 GLU HB3 H 2.09 0.02 2 165 25 25 GLU HG2 H 2.30 0.02 1 166 25 25 GLU C C 176.5 0.3 1 167 25 25 GLU CA C 57.5 0.3 1 168 25 25 GLU CB C 31.5 0.3 1 169 25 25 GLU N N 123.1 0.3 1 170 26 26 GLU H H 8.53 0.02 1 171 26 26 GLU HA H 4.26 0.02 1 172 26 26 GLU HB3 H 2.00 0.02 1 173 26 26 GLU HG2 H 2.28 0.02 1 174 26 26 GLU C C 176.3 0.3 1 175 26 26 GLU CA C 57.5 0.3 1 176 26 26 GLU CB C 31.0 0.3 1 177 26 26 GLU N N 121.9 0.3 1 178 27 27 ASN H H 8.57 0.02 1 179 27 27 ASN HA H 4.75 0.02 1 180 27 27 ASN HB2 H 2.82 0.02 1 181 27 27 ASN C C 175.8 0.3 1 182 27 27 ASN CA C 54.3 0.3 1 183 27 27 ASN CB C 40.1 0.3 1 184 27 27 ASN N N 120.0 0.3 1 185 28 28 GLY H H 8.46 0.02 1 186 28 28 GLY HA2 H 4.02 0.02 1 187 28 28 GLY C C 174.4 0.3 1 188 28 28 GLY CA C 46.5 0.3 1 189 28 28 GLY N N 109.5 0.3 1 190 29 29 SER H H 8.31 0.02 1 191 29 29 SER HA H 4.44 0.02 1 192 29 29 SER HB2 H 3.81 0.02 2 193 29 29 SER HB3 H 3.90 0.02 2 194 29 29 SER C C 174.6 0.3 1 195 29 29 SER CA C 59.8 0.3 1 196 29 29 SER CB C 65.0 0.3 1 197 29 29 SER N N 115.6 0.3 1 198 30 30 ASP H H 8.52 0.02 1 199 30 30 ASP HA H 4.66 0.02 1 200 30 30 ASP HB2 H 2.69 0.02 1 201 30 30 ASP C C 176.5 0.3 1 202 30 30 ASP CA C 55.5 0.3 1 203 30 30 ASP CB C 42.3 0.3 1 204 30 30 ASP N N 122.3 0.3 1 205 31 31 SER H H 8.25 0.02 1 206 31 31 SER HA H 4.35 0.02 1 207 31 31 SER HB2 H 3.80 0.02 1 208 31 31 SER C C 174.5 0.3 1 209 31 31 SER CA C 59.9 0.3 1 210 31 31 SER CB C 64.8 0.3 1 211 31 31 SER N N 115.9 0.3 1 212 32 32 PHE H H 8.21 0.02 1 213 32 32 PHE HA H 4.60 0.02 1 214 32 32 PHE HB3 H 3.08 0.02 1 215 32 32 PHE C C 175.8 0.3 1 216 32 32 PHE CA C 58.9 0.3 1 217 32 32 PHE CB C 40.3 0.3 1 218 32 32 PHE N N 121.7 0.3 1 219 33 33 MET H H 8.25 0.02 1 220 33 33 MET HA H 4.36 0.02 1 221 33 33 MET HB2 H 1.92 0.02 1 222 33 33 MET C C 176.0 0.3 1 223 33 33 MET CA C 56.7 0.3 1 224 33 33 MET CB C 33.7 0.3 1 225 33 33 MET N N 121.2 0.3 1 226 34 34 HIS H H 8.55 0.02 1 227 34 34 HIS HA H 4.74 0.02 1 228 34 34 HIS HB3 H 2.82 0.02 1 229 34 34 HIS C C 174.6 0.3 1 230 34 34 HIS CA C 56.3 0.3 1 231 34 34 HIS CB C 30.3 0.3 1 232 34 34 HIS N N 120.1 0.3 1 233 35 35 SER H H 8.53 0.02 1 234 35 35 SER HA H 4.45 0.02 1 235 35 35 SER HB2 H 3.88 0.02 1 236 35 35 SER C C 174.5 0.3 1 237 35 35 SER CA C 59.7 0.3 1 238 35 35 SER CB C 64.7 0.3 1 239 35 35 SER N N 117.6 0.3 1 240 36 36 MET H H 8.57 0.02 1 241 36 36 MET HA H 4.53 0.02 1 242 36 36 MET HB2 H 1.94 0.02 1 243 36 36 MET C C 175.7 0.3 1 244 36 36 MET CA C 56.0 0.3 1 245 36 36 MET CB C 34.0 0.3 1 246 36 36 MET N N 122.4 0.3 1 247 37 37 ASP H H 8.46 0.02 1 248 37 37 ASP HA H 4.84 0.02 1 249 37 37 ASP HB2 H 2.78 0.02 2 250 37 37 ASP HB3 H 2.53 0.02 2 251 37 37 ASP CA C 53.9 0.3 1 252 37 37 ASP CB C 41.9 0.3 1 253 37 37 ASP N N 123.2 0.3 1 254 39 39 GLN H H 8.60 0.02 1 255 39 39 GLN HA H 4.26 0.02 1 256 39 39 GLN HB3 H 2.04 0.02 1 257 39 39 GLN HG2 H 2.36 0.02 1 258 39 39 GLN C C 176.3 0.3 1 259 39 39 GLN CA C 57.1 0.3 1 260 39 39 GLN CB C 30.2 0.3 1 261 39 39 GLN N N 119.7 0.3 1 262 40 40 LEU H H 8.15 0.02 1 263 40 40 LEU HA H 4.31 0.02 1 264 40 40 LEU HB2 H 1.62 0.02 1 265 40 40 LEU C C 177.4 0.3 1 266 40 40 LEU CA C 56.2 0.3 1 267 40 40 LEU CB C 43.4 0.3 1 268 40 40 LEU N N 122.7 0.3 1 269 41 41 GLU H H 8.39 0.02 1 270 41 41 GLU HA H 4.25 0.02 1 271 41 41 GLU HB3 H 1.94 0.02 1 272 41 41 GLU C C 176.0 0.3 1 273 41 41 GLU CA C 57.5 0.3 1 274 41 41 GLU CB C 31.4 0.3 1 275 41 41 GLU N N 121.7 0.3 1 276 42 42 ARG H H 8.43 0.02 1 277 42 42 ARG HA H 4.32 0.02 1 278 42 42 ARG HB3 H 1.83 0.02 1 279 42 42 ARG C C 176.3 0.3 1 280 42 42 ARG CA C 57.2 0.3 1 281 42 42 ARG CB C 32.0 0.3 1 282 42 42 ARG N N 122.3 0.3 1 283 43 43 GLN H H 8.60 0.02 1 284 43 43 GLN HA H 4.39 0.02 1 285 43 43 GLN HB3 H 1.99 0.02 1 286 43 43 GLN HG2 H 2.35 0.02 1 287 43 43 GLN C C 176.0 0.3 1 288 43 43 GLN CA C 56.7 0.3 1 289 43 43 GLN CB C 30.5 0.3 1 290 43 43 GLN N N 122.7 0.3 1 291 44 44 VAL H H 8.36 0.02 1 292 44 44 VAL HA H 4.11 0.02 1 293 44 44 VAL HG2 H 0.93 0.02 1 294 44 44 VAL C C 176.1 0.3 1 295 44 44 VAL CA C 63.4 0.3 1 296 44 44 VAL CB C 34.1 0.3 1 297 44 44 VAL N N 122.0 0.3 1 298 45 45 GLU H H 8.60 0.02 1 299 45 45 GLU HA H 4.39 0.02 1 300 45 45 GLU HB3 H 1.94 0.02 1 301 45 45 GLU HG2 H 2.30 0.02 1 302 45 45 GLU C C 176.5 0.3 1 303 45 45 GLU CA C 57.4 0.3 1 304 45 45 GLU CB C 31.5 0.3 1 305 45 45 GLU N N 124.9 0.3 1 306 46 46 THR H H 8.36 0.02 1 307 46 46 THR HA H 4.33 0.02 1 308 46 46 THR HG2 H 1.17 0.02 1 309 46 46 THR C C 174.4 0.3 1 310 46 46 THR CA C 63.0 0.3 1 311 46 46 THR CB C 71.0 0.3 1 312 46 46 THR N N 116.9 0.3 1 313 47 47 ILE H H 8.37 0.02 1 314 47 47 ILE HA H 4.15 0.02 1 315 47 47 ILE HB H 0.88 0.02 1 316 47 47 ILE HG13 H 1.84 0.02 1 317 47 47 ILE C C 176.1 0.3 1 318 47 47 ILE CA C 62.2 0.3 1 319 47 47 ILE CB C 39.8 0.3 1 320 47 47 ILE N N 124.4 0.3 1 321 48 48 ARG H H 8.57 0.02 1 322 48 48 ARG HA H 4.35 0.02 1 323 48 48 ARG C C 175.8 0.3 1 324 48 48 ARG CA C 57.0 0.3 1 325 48 48 ARG CB C 32.2 0.3 1 326 48 48 ARG N N 126.0 0.3 1 327 49 49 ASN H H 8.61 0.02 1 328 49 49 ASN HA H 4.70 0.02 1 329 49 49 ASN HB2 H 2.77 0.02 1 330 49 49 ASN C C 175.1 0.3 1 331 49 49 ASN CA C 54.2 0.3 1 332 49 49 ASN CB C 39.9 0.3 1 333 49 49 ASN N N 120.7 0.3 1 334 50 50 LEU H H 8.39 0.02 1 335 50 50 LEU HA H 4.36 0.02 1 336 50 50 LEU HB2 H 1.61 0.02 1 337 50 50 LEU C C 177.3 0.3 1 338 50 50 LEU CA C 56.3 0.3 1 339 50 50 LEU CB C 43.3 0.3 1 340 50 50 LEU N N 123.4 0.3 1 341 51 51 VAL H H 8.24 0.02 1 342 51 51 VAL HA H 4.21 0.02 1 343 51 51 VAL HG2 H 0.91 0.02 1 344 51 51 VAL C C 176.0 0.3 1 345 51 51 VAL CA C 63.4 0.3 1 346 51 51 VAL CB C 34.1 0.3 1 347 51 51 VAL N N 120.6 0.3 1 348 52 52 ASP H H 8.41 0.02 1 349 52 52 ASP HA H 4.64 0.02 1 350 52 52 ASP HB2 H 2.68 0.02 1 351 52 52 ASP C C 176.4 0.3 1 352 52 52 ASP CA C 55.4 0.3 1 353 52 52 ASP CB C 42.4 0.3 1 354 52 52 ASP N N 123.9 0.3 1 355 53 53 SER H H 8.27 0.02 1 356 53 53 SER HA H 4.37 0.02 1 357 53 53 SER HB2 H 3.82 0.02 1 358 53 53 SER C C 174.5 0.3 1 359 53 53 SER CA C 65.0 0.3 1 360 53 53 SER CB C 59.8 0.3 1 361 53 53 SER N N 116.2 0.3 1 362 54 54 TYR H H 8.29 0.02 1 363 54 54 TYR HA H 4.51 0.02 1 364 54 54 TYR HB3 H 3.01 0.02 1 365 54 54 TYR C C 175.8 0.3 1 366 54 54 TYR CA C 59.5 0.3 1 367 54 54 TYR CB C 39.7 0.3 1 368 54 54 TYR N N 122.6 0.3 1 369 55 55 MET H H 8.15 0.02 1 370 55 55 MET HA H 4.36 0.02 1 371 55 55 MET HB2 H 2.01 0.02 2 372 55 55 MET HB3 H 1.92 0.02 2 373 55 55 MET HG2 H 2.49 0.02 1 374 55 55 MET C C 175.4 0.3 1 375 55 55 MET CA C 56.2 0.3 1 376 55 55 MET CB C 34.0 0.3 1 377 55 55 MET N N 122.1 0.3 1 378 56 56 ALA H H 8.19 0.02 1 379 56 56 ALA HA H 4.25 0.02 1 380 56 56 ALA HB H 1.35 0.02 1 381 56 56 ALA C C 177.5 0.3 1 382 56 56 ALA CA C 53.5 0.3 1 383 56 56 ALA CB C 20.2 0.3 1 384 56 56 ALA N N 125.4 0.3 1 385 57 57 ILE H H 8.19 0.02 1 386 57 57 ILE HA H 4.12 0.02 1 387 57 57 ILE HB H 1.82 0.02 1 388 57 57 ILE HG13 H 0.90 0.02 1 389 57 57 ILE C C 176.4 0.3 1 390 57 57 ILE CA C 62.3 0.3 1 391 57 57 ILE CB C 39.8 0.3 1 392 57 57 ILE N N 120.9 0.3 1 393 58 58 VAL H H 8.28 0.02 1 394 58 58 VAL HA H 4.12 0.02 1 395 58 58 VAL HB H 1.41 0.02 1 396 58 58 VAL HG2 H 0.91 0.02 1 397 58 58 VAL C C 175.7 0.3 1 398 58 58 VAL CA C 63.2 0.3 1 399 58 58 VAL CB C 34.1 0.3 1 400 58 58 VAL N N 124.8 0.3 1 401 59 59 ASN H H 8.61 0.02 1 402 59 59 ASN HA H 4.74 0.02 1 403 59 59 ASN HB2 H 2.81 0.02 2 404 59 59 ASN HB3 H 2.74 0.02 2 405 59 59 ASN C C 175.1 0.3 1 406 59 59 ASN CA C 54.0 0.3 1 407 59 59 ASN CB C 40.0 0.3 1 408 59 59 ASN N N 123.4 0.3 1 409 60 60 LYS H H 8.47 0.02 1 410 60 60 LYS HA H 4.36 0.02 1 411 60 60 LYS HB3 H 1.71 0.02 1 412 60 60 LYS C C 176.6 0.3 1 413 60 60 LYS CA C 57.5 0.3 1 414 60 60 LYS CB C 34.4 0.3 1 415 60 60 LYS N N 122.7 0.3 1 416 61 61 THR H H 8.38 0.02 1 417 61 61 THR HA H 4.37 0.02 1 418 61 61 THR HB H 4.19 0.02 1 419 61 61 THR HG2 H 1.17 0.02 1 420 61 61 THR C C 174.5 0.3 1 421 61 61 THR CA C 63.0 0.3 1 422 61 61 THR CB C 71.1 0.3 1 423 61 61 THR N N 115.9 0.3 1 424 62 62 VAL H H 8.28 0.02 1 425 62 62 VAL HA H 4.14 0.02 1 426 62 62 VAL HB H 2.09 0.02 1 427 62 62 VAL HG1 H 1.61 0.02 1 428 62 62 VAL HG2 H 0.93 0.02 1 429 62 62 VAL C C 176.0 0.3 1 430 62 62 VAL CA C 63.4 0.3 1 431 62 62 VAL CB C 33.9 0.3 1 432 62 62 VAL N N 122.8 0.3 1 433 63 63 ARG H H 8.47 0.02 1 434 63 63 ARG HA H 4.34 0.02 1 435 63 63 ARG HB2 H 1.71 0.02 2 436 63 63 ARG HB3 H 1.60 0.02 2 437 63 63 ARG C C 176.0 0.3 1 438 63 63 ARG CA C 57.2 0.3 1 439 63 63 ARG CB C 32.2 0.3 1 440 63 63 ARG N N 124.9 0.3 1 441 64 64 ASP H H 8.43 0.02 1 442 64 64 ASP HA H 4.61 0.02 1 443 64 64 ASP HB2 H 2.58 0.02 1 444 64 64 ASP C C 176.0 0.3 1 445 64 64 ASP CA C 55.6 0.3 1 446 64 64 ASP CB C 42.3 0.3 1 447 64 64 ASP N N 121.7 0.3 1 448 65 65 LEU H H 8.28 0.02 1 449 65 65 LEU HA H 4.33 0.02 1 450 65 65 LEU HB2 H 1.60 0.02 1 451 65 65 LEU C C 177.3 0.3 1 452 65 65 LEU CA C 56.0 0.3 1 453 65 65 LEU CB C 43.5 0.3 1 454 65 65 LEU N N 122.4 0.3 1 455 66 66 MET H H 8.48 0.02 1 456 66 66 MET HA H 4.75 0.02 1 457 66 66 MET C C 174.2 0.3 1 458 66 66 MET CA C 57.6 0.3 1 459 66 66 MET CB C 31.7 0.3 1 460 66 66 MET N N 122.4 0.3 1 461 69 69 THR H H 8.29 0.02 1 462 69 69 THR HA H 4.34 0.02 1 463 69 69 THR HG2 H 1.15 0.02 1 464 69 69 THR C C 174.3 0.3 1 465 69 69 THR CA C 63.0 0.3 1 466 69 69 THR CB C 71.0 0.3 1 467 69 69 THR N N 116.4 0.3 1 468 70 70 ILE H H 8.39 0.02 1 469 70 70 ILE HA H 4.15 0.02 1 470 70 70 ILE HB H 1.82 0.02 1 471 70 70 ILE HG13 H 0.82 0.02 1 472 70 70 ILE C C 175.9 0.3 1 473 70 70 ILE CA C 61.9 0.3 1 474 70 70 ILE CB C 39.8 0.3 1 475 70 70 ILE N N 124.2 0.3 1 476 71 71 MET H H 8.55 0.02 1 477 71 71 MET HA H 4.48 0.02 1 478 71 71 MET HB2 H 1.97 0.02 1 479 71 71 MET HG2 H 2.49 0.02 1 480 71 71 MET C C 175.9 0.3 1 481 71 71 MET CA C 56.3 0.3 1 482 71 71 MET CB C 34.2 0.3 1 483 71 71 MET N N 125.3 0.3 1 484 72 72 HIS H H 8.74 0.02 1 485 72 72 HIS HA H 4.70 0.02 1 486 72 72 HIS HB2 H 3.17 0.02 2 487 72 72 HIS HB3 H 2.89 0.02 2 488 72 72 HIS C C 174.3 0.3 1 489 72 72 HIS CA C 56.2 0.3 1 490 72 72 HIS CB C 30.3 0.3 1 491 72 72 HIS N N 121.2 0.3 1 492 73 73 LEU H H 8.49 0.02 1 493 73 73 LEU HA H 4.36 0.02 1 494 73 73 LEU HB2 H 1.58 0.02 1 495 73 73 LEU C C 177.0 0.3 1 496 73 73 LEU CA C 56.0 0.3 1 497 73 73 LEU CB C 43.8 0.3 1 498 73 73 LEU N N 124.5 0.3 1 499 74 74 MET H H 8.70 0.02 1 500 74 74 MET HA H 4.51 0.02 1 501 74 74 MET HB2 H 2.00 0.02 1 502 74 74 MET HG2 H 2.55 0.02 1 503 74 74 MET C C 176.0 0.3 1 504 74 74 MET CA C 56.2 0.3 1 505 74 74 MET CB C 33.7 0.3 1 506 74 74 MET N N 122.8 0.3 1 507 75 75 ILE H H 8.33 0.02 1 508 75 75 ILE HA H 4.16 0.02 1 509 75 75 ILE HB H 1.82 0.02 1 510 75 75 ILE HG13 H 0.88 0.02 1 511 75 75 ILE C C 175.8 0.3 1 512 75 75 ILE CA C 62.1 0.3 1 513 75 75 ILE CB C 40.0 0.3 1 514 75 75 ILE N N 122.8 0.3 1 515 76 76 ASN H H 8.65 0.02 1 516 76 76 ASN HA H 4.77 0.02 1 517 76 76 ASN HB2 H 2.85 0.02 2 518 76 76 ASN HB3 H 2.72 0.02 2 519 76 76 ASN C C 174.9 0.3 1 520 76 76 ASN CA C 54.0 0.3 1 521 76 76 ASN CB C 40.0 0.3 1 522 76 76 ASN N N 123.2 0.3 1 523 77 77 ASN H H 8.58 0.02 1 524 77 77 ASN HA H 4.79 0.02 1 525 77 77 ASN HB2 H 2.82 0.02 1 526 77 77 ASN C C 175.5 0.3 1 527 77 77 ASN CA C 54.2 0.3 1 528 77 77 ASN CB C 39.9 0.3 1 529 77 77 ASN N N 120.3 0.3 1 530 78 78 THR H H 8.23 0.02 1 531 78 78 THR HA H 4.36 0.02 1 532 78 78 THR HG2 H 1.21 0.02 1 533 78 78 THR C C 174.6 0.3 1 534 78 78 THR CA C 63.2 0.3 1 535 78 78 THR CB C 71.0 0.3 1 536 78 78 THR N N 114.3 0.3 1 537 79 79 LYS H H 8.38 0.02 1 538 79 79 LYS HA H 4.34 0.02 1 539 79 79 LYS HB3 H 1.63 0.02 1 540 79 79 LYS C C 176.3 0.3 1 541 79 79 LYS CA C 57.0 0.3 1 542 79 79 LYS CB C 34.2 0.3 1 543 79 79 LYS N N 123.4 0.3 1 544 80 80 GLU H H 8.40 0.02 1 545 80 80 GLU HA H 4.29 0.02 1 546 80 80 GLU HB3 H 2.03 0.02 1 547 80 80 GLU C C 176.0 0.3 1 548 80 80 GLU CA C 57.7 0.3 1 549 80 80 GLU CB C 31.8 0.3 1 550 80 80 GLU N N 122.0 0.3 1 551 82 82 ILE H H 8.14 0.02 1 552 82 82 ILE HA H 4.12 0.02 1 553 82 82 ILE HB H 1.69 0.02 1 554 82 82 ILE HG13 H 0.78 0.02 1 555 82 82 ILE C C 175.7 0.3 1 556 82 82 ILE CA C 61.7 0.3 1 557 82 82 ILE CB C 40.0 0.3 1 558 82 82 ILE N N 123.9 0.3 1 559 83 83 PHE H H 8.45 0.02 1 560 83 83 PHE HA H 4.58 0.02 1 561 83 83 PHE HB3 H 3.15 0.02 1 562 83 83 PHE C C 175.8 0.3 1 563 83 83 PHE CA C 59.1 0.3 1 564 83 83 PHE CB C 40.8 0.3 1 565 83 83 PHE N N 125.3 0.3 1 566 84 84 SER H H 8.35 0.02 1 567 84 84 SER HA H 4.40 0.02 1 568 84 84 SER HB2 H 3.82 0.02 1 569 84 84 SER C C 174.4 0.3 1 570 84 84 SER CA C 59.3 0.3 1 571 84 84 SER CB C 65.0 0.3 1 572 84 84 SER N N 117.9 0.3 1 573 85 85 GLU H H 8.54 0.02 1 574 85 85 GLU HA H 4.24 0.02 1 575 85 85 GLU HB3 H 1.92 0.02 1 576 85 85 GLU HG2 H 2.30 0.02 1 577 85 85 GLU C C 176.5 0.3 1 578 85 85 GLU CA C 57.4 0.3 1 579 85 85 GLU CB C 31.3 0.3 1 580 85 85 GLU N N 123.6 0.3 1 581 86 86 LEU H H 8.22 0.02 1 582 86 86 LEU HA H 4.32 0.02 1 583 86 86 LEU HB2 H 1.60 0.02 1 584 86 86 LEU C C 177.4 0.3 1 585 86 86 LEU CA C 56.4 0.3 1 586 86 86 LEU CB C 43.1 0.3 1 587 86 86 LEU N N 122.8 0.3 1 588 87 87 LEU H H 8.24 0.02 1 589 87 87 LEU HA H 4.32 0.02 1 590 87 87 LEU HB2 H 1.68 0.02 2 591 87 87 LEU HB3 H 1.59 0.02 2 592 87 87 LEU C C 177.2 0.3 1 593 87 87 LEU CA C 56.1 0.3 1 594 87 87 LEU CB C 43.2 0.3 1 595 87 87 LEU N N 123.1 0.3 1 596 88 88 ALA H H 8.27 0.02 1 597 88 88 ALA HA H 4.25 0.02 1 598 88 88 ALA HB H 1.36 0.02 1 599 88 88 ALA C C 177.5 0.3 1 600 88 88 ALA CA C 53.7 0.3 1 601 88 88 ALA CB C 20.3 0.3 1 602 88 88 ALA N N 124.2 0.3 1 603 89 89 ASN H H 8.39 0.02 1 604 89 89 ASN HA H 4.66 0.02 1 605 89 89 ASN HB2 H 2.75 0.02 1 606 89 89 ASN C C 175.3 0.3 1 607 89 89 ASN CA C 54.1 0.3 1 608 89 89 ASN CB C 39.9 0.3 1 609 89 89 ASN N N 117.7 0.3 1 610 90 90 LEU H H 8.17 0.02 1 611 90 90 LEU HA H 4.25 0.02 1 612 90 90 LEU HB2 H 1.45 0.02 1 613 90 90 LEU C C 177.0 0.3 1 614 90 90 LEU CA C 56.5 0.3 1 615 90 90 LEU CB C 43.4 0.3 1 616 90 90 LEU N N 122.6 0.3 1 617 91 91 TYR H H 8.23 0.02 1 618 91 91 TYR HA H 4.64 0.02 1 619 91 91 TYR HB2 H 3.11 0.02 2 620 91 91 TYR HB3 H 2.90 0.02 2 621 91 91 TYR C C 176.0 0.3 1 622 91 91 TYR CA C 58.8 0.3 1 623 91 91 TYR CB C 39.9 0.3 1 624 91 91 TYR N N 120.0 0.3 1 625 92 92 SER H H 8.28 0.02 1 626 92 92 SER HA H 4.50 0.02 1 627 92 92 SER HB2 H 3.85 0.02 1 628 92 92 SER C C 174.4 0.3 1 629 92 92 SER CA C 59.1 0.3 1 630 92 92 SER CB C 65.0 0.3 1 631 92 92 SER N N 117.3 0.3 1 632 93 93 CYS H H 8.47 0.02 1 633 93 93 CYS HA H 4.58 0.02 1 634 93 93 CYS HB2 H 2.96 0.02 1 635 93 93 CYS C C 174.9 0.3 1 636 93 93 CYS CA C 59.6 0.3 1 637 93 93 CYS CB C 29.4 0.3 1 638 93 93 CYS N N 121.0 0.3 1 639 94 94 GLY H H 8.45 0.02 1 640 94 94 GLY HA2 H 4.00 0.02 1 641 94 94 GLY C C 173.8 0.3 1 642 94 94 GLY CA C 46.3 0.3 1 643 94 94 GLY N N 111.0 0.3 1 644 95 95 ASP H H 8.31 0.02 1 645 95 95 ASP HA H 4.62 0.02 1 646 95 95 ASP HB2 H 2.67 0.02 1 647 95 95 ASP C C 176.5 0.3 1 648 95 95 ASP CA C 55.6 0.3 1 649 95 95 ASP CB C 42.4 0.3 1 650 95 95 ASP N N 120.5 0.3 1 651 96 96 GLN H H 8.52 0.02 1 652 96 96 GLN HA H 4.31 0.02 1 653 96 96 GLN HB3 H 1.98 0.02 1 654 96 96 GLN HG2 H 2.36 0.02 1 655 96 96 GLN C C 176.0 0.3 1 656 96 96 GLN CA C 57.3 0.3 1 657 96 96 GLN CB C 30.5 0.3 1 658 96 96 GLN N N 120.5 0.3 1 659 97 97 ASN H H 8.58 0.02 1 660 97 97 ASN HA H 4.77 0.02 1 661 97 97 ASN HB2 H 2.84 0.02 1 662 97 97 ASN C C 175.6 0.3 1 663 97 97 ASN CA C 54.4 0.3 1 664 97 97 ASN CB C 40.0 0.3 1 665 97 97 ASN N N 119.6 0.3 1 666 98 98 THR H H 8.17 0.02 1 667 98 98 THR HA H 4.30 0.02 1 668 98 98 THR HG2 H 1.20 0.02 1 669 98 98 THR C C 174.5 0.3 1 670 98 98 THR CA C 63.1 0.3 1 671 98 98 THR CB C 70.9 0.3 1 672 98 98 THR N N 114.7 0.3 1 673 99 99 LEU H H 8.30 0.02 1 674 99 99 LEU HA H 4.36 0.02 1 675 99 99 LEU HB2 H 1.62 0.02 1 676 99 99 LEU C C 177.3 0.3 1 677 99 99 LEU CA C 56.3 0.3 1 678 99 99 LEU CB C 43.3 0.3 1 679 99 99 LEU N N 124.6 0.3 1 680 100 100 MET H H 8.49 0.02 1 681 100 100 MET HA H 4.46 0.02 1 682 100 100 MET HB2 H 1.99 0.02 1 683 100 100 MET HG2 H 2.68 0.02 1 684 100 100 MET C C 176.5 0.3 1 685 100 100 MET CA C 57.5 0.3 1 686 100 100 MET CB C 31.4 0.3 1 687 100 100 MET N N 121.9 0.3 1 688 101 101 GLU H H 8.53 0.02 1 689 101 101 GLU HA H 4.30 0.02 1 690 101 101 GLU HB3 H 1.95 0.02 1 691 101 101 GLU HG2 H 2.30 0.02 1 692 101 101 GLU C C 176.6 0.3 1 693 101 101 GLU CA C 57.6 0.3 1 694 101 101 GLU CB C 31.4 0.3 1 695 101 101 GLU N N 122.2 0.3 1 696 102 102 GLU H H 8.56 0.02 1 697 102 102 GLU HA H 4.32 0.02 1 698 102 102 GLU HB3 H 1.94 0.02 1 699 102 102 GLU C C 176.6 0.3 1 700 102 102 GLU CA C 57.6 0.3 1 701 102 102 GLU CB C 31.5 0.3 1 702 102 102 GLU N N 122.2 0.3 1 703 103 103 SER H H 8.48 0.02 1 704 103 103 SER HA H 4.48 0.02 1 705 103 103 SER HB2 H 3.86 0.02 1 706 103 103 SER C C 174.8 0.3 1 707 103 103 SER CA C 59.4 0.3 1 708 103 103 SER CB C 65.1 0.3 1 709 103 103 SER N N 117.2 0.3 1 710 104 104 ALA H H 8.52 0.02 1 711 104 104 ALA HA H 4.34 0.02 1 712 104 104 ALA HB H 1.40 0.02 1 713 104 104 ALA C C 178.4 0.3 1 714 104 104 ALA CA C 54.2 0.3 1 715 104 104 ALA CB C 20.0 0.3 1 716 104 104 ALA N N 126.3 0.3 1 717 105 105 GLU H H 8.42 0.02 1 718 105 105 GLU HA H 4.19 0.02 1 719 105 105 GLU HB3 H 2.01 0.02 1 720 105 105 GLU C C 175.4 0.3 1 721 105 105 GLU CA C 54.1 0.3 1 722 105 105 GLU CB C 30.9 0.3 1 723 105 105 GLU N N 119.3 0.3 1 724 106 106 GLN H H 8.26 0.02 1 725 106 106 GLN HA H 4.20 0.02 1 726 106 106 GLN C C 176.4 0.3 1 727 106 106 GLN CA C 57.4 0.3 1 728 106 106 GLN CB C 30.3 0.3 1 729 106 106 GLN N N 120.7 0.3 1 730 107 107 ALA H H 8.29 0.02 1 731 107 107 ALA HA H 4.11 0.02 1 732 107 107 ALA HB H 1.40 0.02 1 733 107 107 ALA C C 178.1 0.3 1 734 107 107 ALA CA C 54.1 0.3 1 735 107 107 ALA CB C 20.1 0.3 1 736 107 107 ALA N N 124.5 0.3 1 737 108 108 GLN H H 8.31 0.02 1 738 108 108 GLN HA H 4.24 0.02 1 739 108 108 GLN HB3 H 2.02 0.02 1 740 108 108 GLN HG2 H 2.33 0.02 1 741 108 108 GLN C C 176.4 0.3 1 742 108 108 GLN CA C 57.5 0.3 1 743 108 108 GLN CB C 31.4 0.3 1 744 108 108 GLN N N 119.2 0.3 1 745 109 109 ARG H H 8.44 0.02 1 746 109 109 ARG HA H 4.32 0.02 1 747 109 109 ARG HB3 H 1.78 0.02 1 748 109 109 ARG C C 176.3 0.3 1 749 109 109 ARG CA C 57.7 0.3 1 750 109 109 ARG CB C 31.7 0.3 1 751 109 109 ARG N N 122.5 0.3 1 752 110 110 ARG H H 8.51 0.02 1 753 110 110 ARG HA H 4.31 0.02 1 754 110 110 ARG HB3 H 1.78 0.02 1 755 110 110 ARG C C 176.5 0.3 1 756 110 110 ARG CA C 57.7 0.3 1 757 110 110 ARG CB C 31.9 0.3 1 758 110 110 ARG N N 122.8 0.3 1 759 111 111 ASP H H 8.50 0.02 1 760 111 111 ASP HA H 4.59 0.02 1 761 111 111 ASP HB2 H 2.75 0.02 1 762 111 111 ASP C C 176.7 0.3 1 763 111 111 ASP CA C 55.6 0.3 1 764 111 111 ASP CB C 42.4 0.3 1 765 111 111 ASP N N 121.3 0.3 1 766 112 112 GLU H H 8.43 0.02 1 767 112 112 GLU HA H 4.26 0.02 1 768 112 112 GLU HB3 H 1.77 0.02 1 769 112 112 GLU C C 176.4 0.3 1 770 112 112 GLU CA C 57.9 0.3 1 771 112 112 GLU CB C 31.5 0.3 1 772 112 112 GLU N N 121.5 0.3 1 773 113 113 MET H H 8.53 0.02 1 774 113 113 MET HA H 4.53 0.02 1 775 113 113 MET HB2 H 2.03 0.02 1 776 113 113 MET HG2 H 2.69 0.02 1 777 113 113 MET C C 176.4 0.3 1 778 113 113 MET CA C 57.5 0.3 1 779 113 113 MET CB C 31.2 0.3 1 780 113 113 MET N N 122.6 0.3 1 781 114 114 LEU H H 8.22 0.02 1 782 114 114 LEU HA H 4.31 0.02 1 783 114 114 LEU HB2 H 1.59 0.02 1 784 114 114 LEU C C 177.5 0.3 1 785 114 114 LEU CA C 57.7 0.3 1 786 114 114 LEU CB C 43.3 0.3 1 787 114 114 LEU N N 122.7 0.3 1 788 115 115 ARG H H 8.52 0.02 1 789 115 115 ARG HA H 4.31 0.02 1 790 115 115 ARG HB3 H 1.77 0.02 1 791 115 115 ARG C C 176.4 0.3 1 792 115 115 ARG CA C 57.4 0.3 1 793 115 115 ARG CB C 31.8 0.3 1 794 115 115 ARG N N 122.7 0.3 1 795 116 116 MET H H 8.35 0.02 1 796 116 116 MET HA H 4.41 0.02 1 797 116 116 MET HB2 H 1.93 0.02 1 798 116 116 MET HG2 H 2.45 0.02 1 799 116 116 MET C C 175.8 0.3 1 800 116 116 MET CA C 56.5 0.3 1 801 116 116 MET CB C 34.1 0.3 1 802 116 116 MET N N 121.2 0.3 1 803 117 117 TYR H H 8.34 0.02 1 804 117 117 TYR HA H 4.52 0.02 1 805 117 117 TYR HB3 H 2.96 0.02 1 806 117 117 TYR C C 175.5 0.3 1 807 117 117 TYR CA C 59.1 0.3 1 808 117 117 TYR CB C 40.0 0.3 1 809 117 117 TYR N N 121.9 0.3 1 810 118 118 HIS H H 8.46 0.02 1 811 118 118 HIS HA H 4.60 0.02 1 812 118 118 HIS HB3 H 3.17 0.02 1 813 118 118 HIS C C 173.8 0.3 1 814 118 118 HIS CA C 56.0 0.3 1 815 118 118 HIS CB C 30.8 0.3 1 816 118 118 HIS N N 121.6 0.3 1 817 119 119 ALA H H 8.38 0.02 1 818 119 119 ALA HA H 4.32 0.02 1 819 119 119 ALA HB H 1.39 0.02 1 820 119 119 ALA C C 177.6 0.3 1 821 119 119 ALA CA C 53.4 0.3 1 822 119 119 ALA CB C 20.4 0.3 1 823 119 119 ALA N N 125.7 0.3 1 824 120 120 LEU H H 8.39 0.02 1 825 120 120 LEU HA H 4.30 0.02 1 826 120 120 LEU HB2 H 1.62 0.02 1 827 120 120 LEU HD2 H 0.93 0.02 1 828 120 120 LEU C C 176.1 0.3 1 829 120 120 LEU CA C 57.7 0.3 1 830 120 120 LEU CB C 43.4 0.3 1 831 120 120 LEU N N 122.2 0.3 1 832 122 122 GLU H H 8.55 0.02 1 833 122 122 GLU HA H 4.29 0.02 1 834 122 122 GLU HB3 H 1.95 0.02 1 835 122 122 GLU HG2 H 2.29 0.02 1 836 122 122 GLU C C 176.1 0.3 1 837 122 122 GLU CA C 57.4 0.3 1 838 122 122 GLU CB C 31.5 0.3 1 839 122 122 GLU N N 122.7 0.3 1 840 123 123 ALA H H 8.43 0.02 1 841 123 123 ALA HA H 4.31 0.02 1 842 123 123 ALA HB H 1.40 0.02 1 843 123 123 ALA C C 177.5 0.3 1 844 123 123 ALA CA C 53.4 0.3 1 845 123 123 ALA CB C 20.2 0.3 1 846 123 123 ALA N N 125.5 0.3 1 847 124 124 LEU H H 8.30 0.02 1 848 124 124 LEU HA H 4.36 0.02 1 849 124 124 LEU HB2 H 1.62 0.02 1 850 124 124 LEU C C 177.5 0.3 1 851 124 124 LEU CA C 56.0 0.3 1 852 124 124 LEU CB C 43.6 0.3 1 853 124 124 LEU N N 121.8 0.3 1 854 125 125 SER H H 8.46 0.02 1 855 125 125 SER HA H 4.48 0.02 1 856 125 125 SER HB2 H 3.85 0.02 1 857 125 125 SER C C 174.4 0.3 1 858 125 125 SER CA C 59.2 0.3 1 859 125 125 SER CB C 64.9 0.3 1 860 125 125 SER N N 117.3 0.3 1 861 126 126 ILE H H 8.28 0.02 1 862 126 126 ILE HA H 4.20 0.02 1 863 126 126 ILE HB H 1.87 0.02 1 864 126 126 ILE HG13 H 0.87 0.02 1 865 126 126 ILE C C 176.2 0.3 1 866 126 126 ILE CA C 62.2 0.3 1 867 126 126 ILE CB C 39.9 0.3 1 868 126 126 ILE N N 123.2 0.3 1 869 127 127 ILE H H 8.30 0.02 1 870 127 127 ILE HA H 4.16 0.02 1 871 127 127 ILE HB H 1.83 0.02 1 872 127 127 ILE HG13 H 0.90 0.02 1 873 127 127 ILE C C 176.5 0.3 1 874 127 127 ILE CA C 62.3 0.3 1 875 127 127 ILE CB C 39.7 0.3 1 876 127 127 ILE N N 125.1 0.3 1 877 128 128 GLY H H 8.43 0.02 1 878 128 128 GLY HA2 H 3.96 0.02 1 879 128 128 GLY C C 173.5 0.3 1 880 128 128 GLY CA C 46.1 0.3 1 881 128 128 GLY N N 112.8 0.3 1 882 129 129 ASN H H 8.39 0.02 1 883 129 129 ASN HA H 4.75 0.02 1 884 129 129 ASN HB2 H 2.75 0.02 2 885 129 129 ASN HB3 H 2.81 0.02 2 886 129 129 ASN C C 175.4 0.3 1 887 129 129 ASN CA C 54.2 0.3 1 888 129 129 ASN CB C 40.2 0.3 1 889 129 129 ASN N N 119.1 0.3 1 890 130 130 ILE H H 8.26 0.02 1 891 130 130 ILE HA H 4.20 0.02 1 892 130 130 ILE HB H 1.92 0.02 1 893 130 130 ILE HG13 H 0.91 0.02 1 894 130 130 ILE C C 175.8 0.3 1 895 130 130 ILE CA C 62.3 0.3 1 896 130 130 ILE CB C 40.0 0.3 1 897 130 130 ILE N N 120.9 0.3 1 898 131 131 ASN H H 8.64 0.02 1 899 131 131 ASN HA H 4.84 0.02 1 900 131 131 ASN HB2 H 2.89 0.02 2 901 131 131 ASN HB3 H 2.78 0.02 2 902 131 131 ASN C C 175.5 0.3 1 903 131 131 ASN CA C 54.2 0.3 1 904 131 131 ASN CB C 40.0 0.3 1 905 131 131 ASN N N 122.6 0.3 1 906 132 132 THR H H 8.27 0.02 1 907 132 132 THR HA H 4.44 0.02 1 908 132 132 THR HB H 4.32 0.02 1 909 132 132 THR HG2 H 1.19 0.02 1 910 132 132 THR C C 174.8 0.3 1 911 132 132 THR CA C 62.8 0.3 1 912 132 132 THR CB C 70.8 0.3 1 913 132 132 THR N N 114.7 0.3 1 914 133 133 THR H H 8.29 0.02 1 915 133 133 THR HA H 4.46 0.02 1 916 133 133 THR HB H 4.31 0.02 1 917 133 133 THR HG2 H 1.21 0.02 1 918 133 133 THR C C 174.8 0.3 1 919 133 133 THR CA C 63.0 0.3 1 920 133 133 THR CB C 71.1 0.3 1 921 133 133 THR N N 116.1 0.3 1 922 134 134 THR H H 8.28 0.02 1 923 134 134 THR HA H 4.41 0.02 1 924 134 134 THR HB H 4.23 0.02 1 925 134 134 THR HG2 H 1.19 0.02 1 926 134 134 THR C C 174.5 0.3 1 927 134 134 THR CA C 62.9 0.3 1 928 134 134 THR CB C 71.1 0.3 1 929 134 134 THR N N 116.8 0.3 1 930 135 135 VAL H H 8.28 0.02 1 931 135 135 VAL HA H 4.21 0.02 1 932 135 135 VAL HB H 0.94 0.02 1 933 135 135 VAL HG2 H 2.08 0.02 1 934 135 135 VAL C C 176.0 0.3 1 935 135 135 VAL CA C 63.1 0.3 1 936 135 135 VAL CB C 34.1 0.3 1 937 135 135 VAL N N 122.4 0.3 1 938 136 136 SER H H 8.49 0.02 1 939 136 136 SER HA H 4.56 0.02 1 940 136 136 SER HB2 H 3.86 0.02 1 941 136 136 SER C C 174.3 0.3 1 942 136 136 SER CA C 59.1 0.3 1 943 136 136 SER CB C 65.1 0.3 1 944 136 136 SER N N 120.0 0.3 1 945 137 137 THR H H 8.31 0.02 1 946 137 137 THR HA H 4.62 0.02 1 947 137 137 THR HB H 4.16 0.02 1 948 137 137 THR HG2 H 1.24 0.02 1 949 137 137 THR C C 172.7 0.3 1 950 137 137 THR CA C 60.9 0.3 1 951 137 137 THR CB C 70.9 0.3 1 952 137 137 THR N N 118.4 0.3 1 stop_ save_